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First-Principles Calculations of the Optical Properties of Bi4Si3O12: RE (RE = Ho3+, Tb3+, Eu3+, Gd3+, Sm3+, Tm3+) Crystals

Yan Huang,Xuefeng Xiao, Yunlong Zhang, Xu Han, Jiahao Li,Yan Zhang,Jiashun Si,Shuaijie Liang,Qingyan Xu,Huan Zhang, Lingling Ma, Cui Yang,Xuefeng Zhang,Jiayue Xu, Tian,Hui Shen

Crystals（2025）

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Key words
Bi4Si,rare earth ions,first principles,optical properties,virtual crystal approximation
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